2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium

C193H323Cl2I4O36S4Si2V- — CID 163561886

IUPAC2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium
SMILESC.C.C.C.C.C.C1[C-]2CC3CC1CC(C2)C3.C=C(I)[C@H](C)C[C@@H](CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C)OS(C)(=O)=O.C=C(I)[C@H](C)C[C@@H](Cl)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C(I)[C@H](C)C[C@H](O)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H](Cl)C[C@@H](C)C(=C)[C@@H](O)C[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CS(=O)(=O)c1ccc(C)cc1.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H](C)CC)[C@H](C)[C@H]2CS(=O)(=O)c2ccc(C)cc2)O1.CC[C@@H](C)C[C@H]1O[C@@H](CC=O)[C@H](CS(=O)(=O)c2ccc(C)cc2)[C@H]1C.C[C@H]1[C@H]2O[C@@H](CC=O)CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[V]
InChIInChI=1S/C38H59ClO7S.C38H58O7S.C26H49IO5Si2.C20H30O4S.C19H31IO6S.C18H28ClIO3.C18H29IO4.C10H15.6CH4.V/c1-8-24(2)19-36-29(7)33(23-47(41,42)32-13-9-25(3)10-14-32)37(46-36)22-34(40)28(6)26(4)20-30(39)11-15-35-27(5)21-31(45-35)12-16-38-43-17-18-44-38;1-8-24(2)19-35-29(7)33(23-46(39,40)32-13-9-25(3)10-14-32)37(45-35)22-36-28(6)26(4)20-30(44-36)11-15-34-27(5)21-31(43-34)12-16-38-41-17-18-42-38;1-18-22-20(13-12-19(29-22)15-17-28)30-24(23(18)32-34(10,11)26(5,6)7)21(14-16-27)31-33(8,9)25(2,3)4;1-5-14(2)12-20-16(4)18(19(24-20)10-11-21)13-25(22,23)17-8-6-15(3)7-9-17;1-13(15(3)20)11-17(26-27(4,21)22)5-7-18-14(2)12-16(25-18)6-8-19-23-9-10-24-19;1-12(14(3)20)10-15(19)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-12(14(3)19)10-15(20)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-7-2-9-4-8(1)5-10(3-7)6-9;;;;;;;/h9-10,13-14,24,26,29-31,33-38,40H,5-6,8,11-12,15-23H2,1-4,7H3;9-10,13-14,24,26,29-31,33-38H,5-6,8,11-12,15-23H2,1-4,7H3;14,16-24H,12-13,15H2,1-11H3;6-9,11,14,16,18-20H,5,10,12-13H2,1-4H3;13,16-19H,2-3,5-12H2,1,4H3;12,15-18H,2-11H2,1H3;12,15-18,20H,2-11H2,1H3;7-9H,1-6H2;6*1H4;/q;;;;;;;-1;;;;;;;/b;;16-14+;;;;;;;;;;;;/t24-,26-,29-,30+,31+,33-,34+,35+,36-,37+;24-,26-,29-,30+,31+,33-,34+,35-,36-,37+;18-,19+,20-,21-,22+,23-,24-;14-,16-,18-,19+,20-;13-,16+,17-,18+;12-,15+,16+,17+;12-,15-,16+,17+;;;;;;;;/m1101111......../s1
InChIKeySMDHXNXHEBFLLB-HNQVVJMLSA-N
MW4033.58 g/mol
LogP46.24
Rot. Bonds77

About 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium

2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium (PubChem CID 163561886) has the molecular formula C193H323Cl2I4O36S4Si2V- and a molecular weight of 4033.58 g/mol. Its IUPAC name is 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium.

Molecular Properties

Compound Name2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium
PubChem CID163561886
Molecular FormulaC193H323Cl2I4O36S4Si2V-
Molecular Weight4033.58 g/mol
Exact Mass4029.69
IUPAC Name2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium
SMILESC.C.C.C.C.C.C1[C-]2CC3CC1CC(C2)C3.C=C(I)[C@H](C)C[C@@H](CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C)OS(C)(=O)=O.C=C(I)[C@H](C)C[C@@H](Cl)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C(I)[C@H](C)C[C@H](O)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H](Cl)C[C@@H](C)C(=C)[C@@H](O)C[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CS(=O)(=O)c1ccc(C)cc1.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H](C)CC)[C@H](C)[C@H]2CS(=O)(=O)c2ccc(C)cc2)O1.CC[C@@H](C)C[C@H]1O[C@@H](CC=O)[C@H](CS(=O)(=O)c2ccc(C)cc2)[C@H]1C.C[C@H]1[C@H]2O[C@@H](CC=O)CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[V]
InChIInChI=1S/C38H59ClO7S.C38H58O7S.C26H49IO5Si2.C20H30O4S.C19H31IO6S.C18H28ClIO3.C18H29IO4.C10H15.6CH4.V/c1-8-24(2)19-36-29(7)33(23-47(41,42)32-13-9-25(3)10-14-32)37(46-36)22-34(40)28(6)26(4)20-30(39)11-15-35-27(5)21-31(45-35)12-16-38-43-17-18-44-38;1-8-24(2)19-35-29(7)33(23-46(39,40)32-13-9-25(3)10-14-32)37(45-35)22-36-28(6)26(4)20-30(44-36)11-15-34-27(5)21-31(43-34)12-16-38-41-17-18-42-38;1-18-22-20(13-12-19(29-22)15-17-28)30-24(23(18)32-34(10,11)26(5,6)7)21(14-16-27)31-33(8,9)25(2,3)4;1-5-14(2)12-20-16(4)18(19(24-20)10-11-21)13-25(22,23)17-8-6-15(3)7-9-17;1-13(15(3)20)11-17(26-27(4,21)22)5-7-18-14(2)12-16(25-18)6-8-19-23-9-10-24-19;1-12(14(3)20)10-15(19)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-12(14(3)19)10-15(20)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-7-2-9-4-8(1)5-10(3-7)6-9;;;;;;;/h9-10,13-14,24,26,29-31,33-38,40H,5-6,8,11-12,15-23H2,1-4,7H3;9-10,13-14,24,26,29-31,33-38H,5-6,8,11-12,15-23H2,1-4,7H3;14,16-24H,12-13,15H2,1-11H3;6-9,11,14,16,18-20H,5,10,12-13H2,1-4H3;13,16-19H,2-3,5-12H2,1,4H3;12,15-18H,2-11H2,1H3;12,15-18,20H,2-11H2,1H3;7-9H,1-6H2;6*1H4;/q;;;;;;;-1;;;;;;;/b;;16-14+;;;;;;;;;;;;/t24-,26-,29-,30+,31+,33-,34+,35+,36-,37+;24-,26-,29-,30+,31+,33-,34+,35-,36-,37+;18-,19+,20-,21-,22+,23-,24-;14-,16-,18-,19+,20-;13-,16+,17-,18+;12-,15+,16+,17+;12-,15-,16+,17+;;;;;;;;/m1101111......../s1
InChIKeySMDHXNXHEBFLLB-HNQVVJMLSA-N
XLogP46.24
TPSA432.68 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds77
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004033.58
LogP ≤ 546.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium?
The IUPAC name of 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium (CID 163561886) is 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium.
What is the SMILES notation for 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium?
The canonical SMILES for 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium is C.C.C.C.C.C.C1[C-]2CC3CC1CC(C2)C3.C=C(I)[C@H](C)C[C@@H](CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C)OS(C)(=O)=O.C=C(I)[C@H](C)C[C@@H](Cl)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C(I)[C@H](C)C[C@H](O)CC[C@@H]1O[C@@H](CCC2OCCO2)CC1=C.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H](Cl)C[C@@H](C)C(=C)[C@@H](O)C[C@@H]1O[C@H](C[C@H](C)CC)[C@H](C)[C@H]1CS(=O)(=O)c1ccc(C)cc1.C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@H](C)CC)[C@H](C)[C@H]2CS(=O)(=O)c2ccc(C)cc2)O1.CC[C@@H](C)C[C@H]1O[C@@H](CC=O)[C@H](CS(=O)(=O)c2ccc(C)cc2)[C@H]1C.C[C@H]1[C@H]2O[C@@H](CC=O)CC[C@@H]2O[C@@H]([C@H](/C=C/I)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.[V].
What is the InChIKey of 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium?
The InChIKey is SMDHXNXHEBFLLB-HNQVVJMLSA-N. The full InChI is InChI=1S/C38H59ClO7S.C38H58O7S.C26H49IO5Si2.C20H30O4S.C19H31IO6S.C18H28ClIO3.C18H29IO4.C10H15.6CH4.V/c1-8-24(2)19-36-29(7)33(23-47(41,42)32-13-9-25(3)10-14-32)37(46-36)22-34(40)28(6)26(4)20-30(39)11-15-35-27(5)21-31(45-35)12-16-38-43-17-18-44-38;1-8-24(2)19-35-29(7)33(23-46(39,40)32-13-9-25(3)10-14-32)37(45-35)22-36-28(6)26(4)20-30(44-36)11-15-34-27(5)21-31(43-34)12-16-38-41-17-18-42-38;1-18-22-20(13-12-19(29-22)15-17-28)30-24(23(18)32-34(10,11)26(5,6)7)21(14-16-27)31-33(8,9)25(2,3)4;1-5-14(2)12-20-16(4)18(19(24-20)10-11-21)13-25(22,23)17-8-6-15(3)7-9-17;1-13(15(3)20)11-17(26-27(4,21)22)5-7-18-14(2)12-16(25-18)6-8-19-23-9-10-24-19;1-12(14(3)20)10-15(19)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-12(14(3)19)10-15(20)4-6-17-13(2)11-16(23-17)5-7-18-21-8-9-22-18;1-7-2-9-4-8(1)5-10(3-7)6-9;;;;;;;/h9-10,13-14,24,26,29-31,33-38,40H,5-6,8,11-12,15-23H2,1-4,7H3;9-10,13-14,24,26,29-31,33-38H,5-6,8,11-12,15-23H2,1-4,7H3;14,16-24H,12-13,15H2,1-11H3;6-9,11,14,16,18-20H,5,10,12-13H2,1-4H3;13,16-19H,2-3,5-12H2,1,4H3;12,15-18H,2-11H2,1H3;12,15-18,20H,2-11H2,1H3;7-9H,1-6H2;6*1H4;/q;;;;;;;-1;;;;;;;/b;;16-14+;;;;;;;;;;;;/t24-,26-,29-,30+,31+,33-,34+,35+,36-,37+;24-,26-,29-,30+,31+,33-,34+,35-,36-,37+;18-,19+,20-,21-,22+,23-,24-;14-,16-,18-,19+,20-;13-,16+,17-,18+;12-,15+,16+,17+;12-,15-,16+,17+;;;;;;;;/m1101111......../s1.
What are the key properties of 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium?
2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium has a molecular weight of 4033.58 g/mol, XLogP of 46.24, 77 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,4aR,6R,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-methyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde;adamantan-1-ide;(2S,4R,6S)-6-chloro-8-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-4-methyl-3-methylidene-1-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]octan-2-ol;2-[2-[(2S,5S)-5-[(3S,5R)-3-chloro-6-iodo-5-methylhept-6-enyl]-4-methylideneoxolan-2-yl]ethyl]-1,3-dioxolane;(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylidene-2-[[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]methyl]oxane;(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-ol;[(3R,5R)-1-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]-6-iodo-5-methylhept-6-en-3-yl] methanesulfonate;methane;2-[(2S,3R,4R,5R)-4-methyl-5-[(2R)-2-methylbutyl]-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde;vanadium is sourced from PubChem (CID 163561886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).